methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O6S — CID 22515636

IUPACmethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C
InChIInChI=1S/C15H18N2O6S/c1-17-9-11(8-13(17)15(18)23-4)24(19,20)16-12-6-5-10(21-2)7-14(12)22-3/h5-9,16H,1-4H3
InChIKeyBIRKNIGTVSDGIO-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.63
Rot. Bonds6

About methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515636) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515636
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Namemethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C
InChIInChI=1S/C15H18N2O6S/c1-17-9-11(8-13(17)15(18)23-4)24(19,20)16-12-6-5-10(21-2)7-14(12)22-3/h5-9,16H,1-4H3
InChIKeyBIRKNIGTVSDGIO-UHFFFAOYSA-N
XLogP1.63
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-[(2,4-dimethoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503913
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
CID 43415198
methyl 4-[4-[(2,4-dimethoxyphenyl)sulfamoyl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565059
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515636) is methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C.
What is the InChIKey of methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is BIRKNIGTVSDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-17-9-11(8-13(17)15(18)23-4)24(19,20)16-12-6-5-10(21-2)7-14(12)22-3/h5-9,16H,1-4H3.
What are the key properties of methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).